4-[9-(hydroxymethyl)purin-6-yl]sulfanylbut-2-yn-1-ol

Systemtic Name: 4-[9-(hydroxymethyl)purin-6-yl]sulfanylbut-2-yn-1-ol Openeye Name: 4-[9-(hydroxymethyl)purin-6-yl]sulfanylbut-2-yn-1-ol CAS Name: 4-[[9-(hydroxymethyl)-6-purinyl]thio]-2-butyn-1-ol IUPAC Name: 4-[9-(hydroxymethyl)purin-6-yl]sulfanylbut-2-yn-1-ol Traditional Name: 4-[(9-methylolpurin-6-yl)thio]but-2-yn-1-ol Formula: C10H10N4O2S MolecularWeight: 250.277

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)SCC#CCO)N=CN2CO

Isomeric SMILES

C1=NC2=C(C(=N1)SCC#CCO)N=CN2CO

InChI

InChI=1S/C10H10N4O2S/c15-3-1-2-4-17-10-8-9(11-5-12-10)14(7-16)6-13-8/h5-6,15-16H,3-4,7H2